Carnitine
Representations & DB's id
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| ChEBI: | CHEBI:17126 | |
|---|---|---|
| ChEMBL: | CHEMBL172513 | |
| PubChem: | 288 | |
| IUPAC: | 3-hydroxy-4-(trimethylazaniumyl)butanoate | |
| Standard InChI: | InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3 | |
| Standard InChI Key: | PHIQHXFUZVPYII-UHFFFAOYSA-N | |
| SMILES: | OC(C[N+](C)(C)C)CC(=O)[O-] | |
Molecular propeties
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| AlogP: | -1.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 161.11 | |
| Topological polar surface area: | 60.4 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |